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Sugi Predict / Compounds / SCHEMBL24337086

SCHEMBL24337086

SCHEMBL24337086

CC1C(=O)C(C#N)=CC2(C)C3=CC(=O)C4C(CCC5(C(=O)n6cnc(-c7ncccc7C(N)=O)c6)CCC(C)(C)CC45)C3(C)CCC12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.49
▸ CCR6 P51684 1/20 0.39
▸ MBOAT4 Q96T53 1/20 0.39
▸ RORC P51449 12/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26755576 0.90 NOS2 (0.62) NOS2CCR6MBOAT4RORC
SCHEMBL24337278 0.88 NOS2 (0.51) NOS2CCR6MBOAT4RORC
SCHEMBL24337355 0.86 NOS2 (0.49) NOS2CCR6MBOAT4RORC
SCHEMBL24337154 0.83 NOS2 (0.49) NOS2CCR6MBOAT4RORC
SCHEMBL24337275 0.82 NOS2 (0.48) NOS2CCR6MBOAT4RORC
SCHEMBL21573985 0.81 NOS2 (0.57) NOS2CCR6MBOAT4RORC
SCHEMBL21085439 0.81 NOS2 (0.57) NOS2CCR6MBOAT4RORC
SCHEMBL24337156 0.80 NOS2 (0.43) NOS2CCR6MBOAT4RORC
SCHEMBL24337283 0.80 NOS2 (0.49) NOS2CCR6MBOAT4RORC
SCHEMBL24389445 0.79 NOS2 (0.77) NOS2CCR6MBOAT4RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056439-A1 ANALOGS OF CDDO-2P-IM AND CDDO-3P-IM TRITERPENOID THERAPEUTICS, INC. (US) 2022-03-17 — — WO disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
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